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Sugi Predict / Compounds / SCHEMBL30688077

SCHEMBL30688077

SCHEMBL30688077

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ EPHA2 P29317 2/20 0.54
▸ IL23R Q5VWK5 1/20 0.52
▸ AGTR2 P50052 4/20 0.52
▸ AGTR1 P30556 3/20 0.52
▸ NTSR1 P30989 2/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NMUR2 Q9GZQ4 3/20 0.51
▸ NMUR1 Q9HB89 3/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ OPRD1 P41143 2/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ LNPEP Q9UIQ6 1/20 0.50
▸ NPY2R P49146 2/20 0.49
▸ NPY4R P50391 2/20 0.49
▸ NPY5R Q15761 2/20 0.49
▸ NPY1R P25929 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30688083 0.96 MAPK8 (0.57) MAPK8MAPK9MAPK10EPHA2IL23R
SCHEMBL30688082 0.96 EPHA2 (0.59) MAPK8MAPK9MAPK10EPHA2AGTR2
SCHEMBL30688069 0.93 AGTR2 (0.58) MAPK8MAPK9MAPK10EPHA2AGTR2
SCHEMBL30688070 0.93 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2AGTR2
SCHEMBL29706151 0.92 OPRD1 (0.58) MAPK8MAPK9MAPK10IL23RNTSR1
SCHEMBL30598184 0.92 OPRD1 (0.58) MAPK8MAPK9MAPK10IL23RNTSR1
SCHEMBL30688075 0.92 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30688074 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2AGTR2
SCHEMBL30688076 0.91 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL29706466 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2IL23R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946593-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2024-11-12 — — CN disclosed
CN-117186237-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2023-12-08 — — CN disclosed
WO-2023231969-A1 INSULIN HYBRID PEPTIDE COMPRISING CHYMOTRYPSIN INHIBITORY PEPTIDE, AND USE THEREOF 中国医学科学院药物研究所 2023-12-07 — — WO disclosed
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